Abstract
The form factor, characteristic function, total energy, interatomic pair potential, and electron and phonon spectra of metallic Na are calculated from first principles by the pseudopotential method, taking exchange-correlation effects, orthogonalizational holes, and energy shifts of the internal levels into account. Good agreement is obtained between these values calculated in the second order of perturbation theory and experimental values.
Similar content being viewed by others
Literature cited
W. Harrison, Pseudopotentials in Metals Theory [Russian translation]. Mir, Moscow (1968).
W. A. Harrison, Phys. Rev.,129, 2503 (1963).
W. A. Harrison, Phys. Rev.,129, 2512 (1963).
W. A. Harrison, Phys. Rev.,136, 1107 (1964).
J. Hafner, Phys. Status Solidi (b),56, 579 (1973).
J. Hafner, Phys. Status Solidi (b),57, 101 (1973).
J. Hafner and H. Nowotny, Phys. Stat. Solidi (b),51, 107 (1972).
P. P. Ewald, Ann. Phys.,64, 253 (1921).
K. Fuchs, Proc. Roy. Soc.,A151, 585 (1935).
K. S. Singwi, Phys. Rev.,64, 253 (1971).
W. A. Harrison, Solid State Theory, McGraw-Hill (1970).
J. Lindgren and K. Schwarz, Phys. Rev.,A5, 542 (1971).
J. Lindgren, Inst. J. Quantum Chem.,5, 411 (1971).
F. Herman and J. Skilman, Atomic Structure Calculation, Prentice-Hall, New Jersey (1963).
J. C. Slatter, Phys. Rev.,81, 385 (1951).
W. Cochran, Proc. Roy. Soc. (Id),A276, 308 (1963).
K. Brakner, Theory of Nuclear Materials [Russian translation], Mir, Moscow (1964).
D. Pines, Elementary Excitations in Solids, W. A. Benjamin (1963).
M. Gell-Man and K. Bruecner, Phys. Rev.,106, 364 (1957).
V. V. Nemoshkalenko and V. G. Aleshin, Theoretical Principles of X-Ray Emission Spectroscopy [in Russian], Naukova Dumka, Kiev (1974).
B. Woods et al., Phys. Rev.,128, 1112 (1966).
V. Heine, M. Cohen, and D. Weir, Pseudopotential Theory [Russian translation], Mir, Moscow (1973).
A. J. Hughes and J. Callaway, Phys. Rev.,A1390, 136 (1964).
A. Mefer and W. Yong, Phys. Rev.,A401, 139 (1965).
Ya. I. Dutchak, P. N. Yakibchuk, and G. I. Barylyak, Fiz. Met. Metalloved.,44, 938 (1977).
J. Hafner, J. Phys. F,5, 1439 (1975).
M. J. Lee, Proc. Roy. Soc.,A295, 440 (1966).
Author information
Authors and Affiliations
Additional information
Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 39–46, August, 1979.
Rights and permissions
About this article
Cite this article
Smirnov, V.A., Podkorytov, S.I., Kiselev, Y.V. et al. Equilibrium structure and properties of metallic sodium calculated from first principles by the pseudopotential method. Soviet Physics Journal 22, 839–845 (1979). https://doi.org/10.1007/BF00889669
Received:
Revised:
Issue Date:
DOI: https://doi.org/10.1007/BF00889669